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Substance Name: Actinomycin D, 7-(((3-phenoxyphenyl)methyl)amino)-
RN: 67230-62-0
InChIKey: NVYIQHAWCXLGFX-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C75-H97-N13-O17

Molecular Weight

  • 1452.67
 
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Names and Synonyms

Synonym

  • 7-(((3-Phenoxyphenyl)methyl)amino)actinomycin D

Systematic Name

  • Actinomycin D, 7-(((3-phenoxyphenyl)methyl)amino)-

Registry Numbers

CAS Registry Number

  • 67230-62-0

System Generated Number

  • 0067230620

Structure Descriptors

InChI

1S/C75H97N13O17/c1-36(2)55-72(98)87-30-20-24-49(87)70(96)83(13)34-51(89)85(15)61(38(5)6)74(100)102-42(11)57(68(94)79-55)81-66(92)47-32-48(77-33-44-26-28-46(29-27-44)104-45-22-18-17-19-23-45)40(9)64-59(47)78-60-53(54(76)63(91)41(10)65(60)105-64)67(93)82-58-43(12)103-75(101)62(39(7)8)86(16)52(90)35-84(14)71(97)50-25-21-31-88(50)73(99)56(37(3)4)80-69(58)95/h17-19,22-23,26-29,32,36-39,42-43,49-50,55-58,61-62,77H,20-21,24-25,30-31,33-35,76H2,1-16H3,(H,79,94)(H,80,95)(H,81,92)(H,82,93)

InChIKey

NVYIQHAWCXLGFX-UHFFFAOYSA-N

Smiles

c1(ccccc1)Oc1ccc(CNc2c(c3c(nc4c(o3)c(c(c(c4C(N[C@@H]3C(N[C@@H](C(N4[C@@H](C(N(CC(N([C@@H](C(O[C@@H]3C)=O)C(C)C)C)=O)C)=O)CCC4)=O)C(C)C)=O)=O)N)=O)C)c(C(N[C@@H]3C(N[C@@H](C(N4[C@@H](C(N(CC(N([C@@H](C(C)C)C(=O)O[C@@H]3C)C)=O)C)=O)CCC4)=O)C(C)C)=O)=O)c2)C)cc1